[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate CAS Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-nitrophenyl)sulfonylamino]benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C23H21N3O8S MolecularWeight: 499.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c27-22(24-13-14-33-18-8-2-1-3-9-18)16-34-23(28)20-11-4-5-12-21(20)25-35(31,32)19-10-6-7-17(15-19)26(29)30/h1-12,15,25H,13-14,16H2,(H,24,27)